English name | AGOMELATINE 阿戈美拉汀 |
Synonyms | Melitor;VALDOXAN; MELITOR; THYMANAX;CS-1963;AgoMelatine(S-20098,Valdoxan);S20098,N-[2-(7-Methoxynaphth-1-yl)ethyl]acetamide;S 20098;AGOMELATIN;Acetamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl) |
CAS | 138112-76-2 |
EINECS | 629-727-7 |
Molecular formula | C15H17NO2 |
Molecular weight | 243.3 |
Chemical formula |
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Content > | |
Density | 1.109±0.06 g/cm3(Predicted) |
Melting point | 107-109°C |
Boiling point | 478.8±28.0 °C(Predicted) |
Solubility | DMSO: >50mg/mL |
Acidity coefficient | 16.17±0.46(Predicted) |
λmax | |
Storage condition | 2-8°C |
Appearance | powder |
Colour | white to off-white |
Merck | 14,190 |
InChI | InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17) |
InChIKey | YJYPHIXNFHFHND-UHFFFAOYSA-N |
SMILES | C(NCCC1=C2C(C=CC(OC)=C2)=CC=C1)(=O)C |
HS | 29241990 |
Use | Melatonin drugs |
Dangerous mark | N |
Risk phrases | 50 |
Safety phrases | 61 |
Dangerous goods transport No. | UN 3077 9 / PGIII |
WGK Germany | 3 |
RTECS | AC5956323 |
Hazard Class | mouse,LD50,oral,> 1gm/kg (1000mg/kg),United States Patent Document. Vol. #5318994, |
Upstream raw materials | 1384536-35-9185336-04-32-(7-Methoxy-naphthalene 1-yl) ethylamine hydrochloride 2-(7-methoxy-naphthalene 1-yl) acetonitrile Agomelatin impurity 17-methoxy-1-naphthalene 7-methoxy-1-acetamide |
Down stream product | N-acetyl-N-(2-(7-Methoxynaphthalen-1-yl)ethyl)acetaMide |
